7-azanyl-3-[[5-(2-azanyl-2-oxidanylidene-ethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[[5-(2-azanyl-2-oxidanylidene-ethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[[5-(2-amino-2-oxo-ethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[[[5-(2-amino-2-keto-ethyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H13N5O4S3 MolecularWeight: 387.45772

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC3=NN=C(S3)CC(=O)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC3=NN=C(S3)CC(=O)N

InChI

InChI=1S/C12H13N5O4S3/c13-5(18)1-6-15-16-12(24-6)23-3-4-2-22-10-7(14)9(19)17(10)8(4)11(20)21/h7,10H,1-3,14H2,(H2,13,18)(H,20,21)